Package Health Score

52 / 100

security
Security review needed
popularity
Small
maintenance
Inactive
community
Active

Popularity

Small

GitHub Stars: 576
Forks: 144
Contributors: 40

Direct Usage Popularity

Based on project statistics from the GitHub repository for the PyPI package mol-kit, we found that it has been starred 576 times.

Security

Security review needed

Security and license risk for latest version

Release Date: Nov 21, 2022
Direct Vulnerabilities: 0
C
0
H
0
M
0
L
Indirect Vulnerabilities: 0
C
0
H
0
M
0
L
License Risk: 1
H
0
M
0
L

All security vulnerabilities belong to production dependencies of direct and indirect packages.

License

LGPL-3.0

Non-Permissive License

We noticed that this project uses a license which requires less permissive conditions such as disclosing the source code, stating changes or redistributing the source under the same license. It is advised to further consult the license terms before use.

Security Policy

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Maintenance

Inactive

Commit Frequency

Open Issues: 167
Open PR: 6
Last Release: 2 years ago
Last Commit: 2 months ago

Further analysis of the maintenance status of mol-kit based on released PyPI versions cadence, the repository activity, and other data points determined that its maintenance is Inactive.

An important project maintenance signal to consider for mol-kit is that it hasn't seen any new versions released to PyPI in the past 12 months, and could be considered as a discontinued project, or that which receives low attention from its maintainers.

As a healthy sign for on-going project maintenance, we found that the GitHub repository had at least 1 pull request or issue interacted with by the community.

Community

Active

Readme: Yes
Contributing.md: Yes
Code of Conduct: No
Contributors: 40
Funding: No

With more than 10 contributors for the mol-kit repository, this is possibly a sign for a growing and inviting community.

We found a way for you to contribute to the project! Looks like mol-kit is missing a Code of Conduct.

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Package

Python Versions Compatibility: >=3.6

Age: 2 years
Latest Release: 2 years ago
Dependencies: 4 Direct / 10 Total
Versions: 4
Maintainers: 1
Wheels: OS Independent

Readme

mol-kit

This library currently has several main features:

handle input file format conversions for DFT calculation (such as: ORCA, GAUSSIAN, VASP...)
handle file format conversions for visualization molecule 2D&3D structure.
fast and robust conformer calculation (need xtb-python installed)
- this feature stands on the shoulders of rdkit and xtb
- usage:
  - python ./mol-kit.py -w 3 -ag FIRE -i in -o out
  - '--weight', '-w', Number of conformations sampled per molecule = Rotatable molecular bonds * weight', default=3;
  - '--algorithm', '-ag', Structural optimization iterative algorithm, LBFGS,FIRE', default='FIRE';
  - '--in_path', '-i', Folder of molecules to be calculated, default='in';
  - '--out_path', '-o', Folder for the result output', default='out'

mol-kit dependencies

numpy pymatgen rdkit rich

FAQs

What is mol-kit?

This is a molecule structure file conversion library. Visit Snyk Advisor to see a full health score report for mol-kit, including popularity, security, maintenance & community analysis.

Is mol-kit popular?

The python package mol-kit receives a total of 74 weekly downloads. As such, mol-kit popularity was classified as small. Visit the popularity section on Snyk Advisor to see the full health analysis.

Is mol-kit well maintained?

We found indications that mol-kit is an Inactive project. See the full package health analysis to learn more about the package maintenance status.

Is mol-kit safe to use?

While scanning the latest version of mol-kit, we found that a security review is needed. A total of 0 vulnerabilities or license issues were detected. See the full security scan results.

Last updated on 11 November-2024, at 03:10 (UTC).

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mol-kit

This is a molecule structure file conversion library For more information about how to use this package see README

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Package Health Score

Popularity

Direct Usage Popularity

Security

Security and license risk for latest version

Non-Permissive License

Maintenance

Commit Frequency

Community

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Package

Readme

mol-kit

This library currently has several main features:

mol-kit dependencies

FAQs

What is mol-kit?

Is mol-kit popular?

Is mol-kit well maintained?

Is mol-kit safe to use?

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Package Health Score

Direct Usage Popularity

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Readme

mol-kit

This library currently has several main features:

mol-kit dependencies

FAQs

What is mol-kit?

Is mol-kit popular?

Is mol-kit well maintained?

Is mol-kit safe to use?

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Source Code

Open Source

Container

Config

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